1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid

C12H19N3O2 — CID 79650812

IUPAC1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)c1nccn1C1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-14-5-6-15(10)9-3-4-12(13,7-9)11(16)17/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,16,17)
InChIKeyBLTUPRKWKXWXAC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds3

About 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid

1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79650812) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79650812
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)c1nccn1C1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-14-5-6-15(10)9-3-4-12(13,7-9)11(16)17/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,16,17)
InChIKeyBLTUPRKWKXWXAC-UHFFFAOYSA-N
XLogP1.51
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 79650812) is 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid is CC(C)c1nccn1C1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BLTUPRKWKXWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10-14-5-6-15(10)9-3-4-12(13,7-9)11(16)17/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).